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commit	6cb31a6bd414603afa77ce883b9918f41151a93e
author	M. Eric Irrgang <ericirrgang@gmail.com>
	Thu, 29 Aug 2019 18:28:43 +0000 (29 21:28 +0300)
committer	Mark Abraham <mark.j.abraham@gmail.com>
	Tue, 3 Sep 2019 07:52:42 +0000 (3 09:52 +0200)
tree	b954ed558c02552ac16adfe7fe6cf4886c1644ad	tree \| snapshot (tar.gz zip)
parent	663562b65f71daec15a0bd08c43d8dece4920295	commit \| diff

Python wrapping code for gmxapi mdrun bindings.

Expose the mdrun bindings to the Python interface.

Updates workflow.py and context.py from 0.0.7.4 tagged release of external project.

Refs #2893
Refs #2912
Refs #3027

Change-Id: I44a66646eceb191a2ec755169671af326f22526a

python_packaging/sample_restraint/tests/test_binding.py		diff \| blob \| blame \| history
python_packaging/src/gmxapi/__init__.py		diff \| blob \| blame \| history
python_packaging/src/gmxapi/exceptions.py		diff \| blob \| blame \| history
python_packaging/src/gmxapi/export_context.cpp		diff \| blob \| blame \| history
python_packaging/src/gmxapi/simulation/.gitattributes	[deleted file]	blob \| blame \| history
python_packaging/src/gmxapi/simulation/__init__.py		diff \| blob \| blame \| history
python_packaging/src/gmxapi/simulation/context.py		diff \| blob \| blame \| history
python_packaging/src/gmxapi/simulation/mdrun.py	[new file with mode: 0644]	blob
python_packaging/src/gmxapi/simulation/workflow.py		diff \| blob \| blame \| history
python_packaging/src/setup.py		diff \| blob \| blame \| history
python_packaging/src/test/test_mdrun.py		diff \| blob \| blame \| history

The ultimate molecular dynamics simulation package

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